Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005425
PROPERTIES
| NPAID | NPA005425 |
|---|---|
| CLUSTER ID | 2127 |
| NODE ID | 1698 |
| NAME | Penitrem C |
| FORMULA | C37H44ClNO4 |
| MOLECULAR WEIGHT (Da) | 602.2150 |
| ACCURATE MASS (Da) | 601.2959 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | sp. |
| InChIKey | BVVRIERIEDMORG-UWOVGSIKSA-N |
| InChI | InChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3/t18-,20+,22+,25-,26+,27+,31-,32+,35-,36-,37-/m1/s1 |
| SMILES | C=C1CC2=C(Cl)C=C3NC4=C5C3=C2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C |
ORIGINAL ISOLATION REFERENCE
| CITATION | de Jesus, Amelia E.; Steyn, Pieter S.; van Heerden, Fanie R.; Vleggaar, Robert; Wessels, Philippus L.; Hull, William E. Tremorgenic mycotoxins from Penicillium crustosum. Structure elucidation and absolute configuration of penitrems B–F. Journal of the Chemical Society, Perkin Transactions 1 1983 (0) 1857-1861. | ||
|---|---|---|---|
| DOI | 10.1039/p19830001857 | PMID | - |
